4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-(ethylsulfanylmethyl)-2-phenyl-benzamide

Systemtic Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-(ethylsulfanylmethyl)-2-phenyl-benzamide Openeye Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-(ethylsulfanylmethyl)-2-phenyl-benzamide CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-N-[(ethylthio)methyl]-2-phenylbenzamide IUPAC Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-(ethylsulfanylmethyl)-2-phenylbenzamide Traditional Name: 4-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]-N-[(ethylthio)methyl]-2-phenyl-benzamide Formula: C28H27N5OS MolecularWeight: 481.61188

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Descriptors Computed from Structure

Canonical SMILES:

CCSCNC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CCSCNC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C28H27N5OS/c1-2-35-20-32-28(34)26-13-12-24(14-27(26)23-6-4-3-5-7-23)31-17-25-16-30-19-33(25)18-22-10-8-21(15-29)9-11-22/h3-14,16,19,31H,2,17-18,20H2,1H3,(H,32,34)